CID 853499

573931-49-4

Structural Information

Molecular Formula
C16H23N5O3
SMILES
CC(=C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3
InChI
InChI=1S/C16H23N5O3/c1-11(2)9-21-12(10-20-5-7-24-8-6-20)17-14-13(21)15(22)19(4)16(23)18(14)3/h1,5-10H2,2-4H3
InChIKey
TWULISJUMHUJHO-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.18008 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18736 179.9
[M+Na]+ 356.16930 193.2
[M+NH4]+ 351.21390 184.0
[M+K]+ 372.14324 190.3
[M-H]- 332.17280 180.9
[M+Na-2H]- 354.15475 182.2
[M]+ 333.17953 181.8
[M]- 333.18063 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.